8IWA
Crystal structure of Q9PR55 at pH 6.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-12-16 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.856, 54.006, 77.476 |
| Unit cell angles | 90.00, 91.04, 90.00 |
Refinement procedure
| Resolution | 28.740 - 2.510 |
| R-factor | 0.2156 |
| Rwork | 0.212 |
| R-free | 0.26780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.791 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.740 | 2.600 |
| High resolution limit [Å] | 2.510 | 2.510 |
| Rmerge | 0.074 | 0.524 |
| Rmeas | 0.081 | 0.588 |
| Rpim | 0.033 | 0.261 |
| Number of reflections | 20839 | 1835 |
| <I/σ(I)> | 18.2 | 2.1 |
| Completeness [%] | 97.4 | 86 |
| Redundancy | 5.8 | 4.3 |
| CC(1/2) | 0.885 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | magnesium sulfate, MES |
